N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide

C15H24N4O2 — CID 75426800

IUPACN-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide
SMILESCOCCC1(C(=O)NCCc2nncn2C2CC2)CCC1
InChIInChI=1S/C15H24N4O2/c1-21-10-8-15(6-2-7-15)14(20)16-9-5-13-18-17-11-19(13)12-3-4-12/h11-12H,2-10H2,1H3,(H,16,20)
InChIKeySHRIPSVGMOTUHV-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.48
Rot. Bonds8

About N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide

N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide (PubChem CID 75426800) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide
PubChem CID75426800
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide
SMILESCOCCC1(C(=O)NCCc2nncn2C2CC2)CCC1
InChIInChI=1S/C15H24N4O2/c1-21-10-8-15(6-2-7-15)14(20)16-9-5-13-18-17-11-19(13)12-3-4-12/h11-12H,2-10H2,1H3,(H,16,20)
InChIKeySHRIPSVGMOTUHV-UHFFFAOYSA-N
XLogP1.48
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide (CID 75426800) is N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide is COCCC1(C(=O)NCCc2nncn2C2CC2)CCC1.
What is the InChIKey of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide?
The InChIKey is SHRIPSVGMOTUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-21-10-8-15(6-2-7-15)14(20)16-9-5-13-18-17-11-19(13)12-3-4-12/h11-12H,2-10H2,1H3,(H,16,20).
What are the key properties of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide?
N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 75426800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).